ChemSpider 2D Image | TRO-40303 | C26H47NO2

TRO-40303

  • Molecular FormulaC26H47NO2
  • Average mass405.657 Da
  • Monoisotopic mass405.360687 Da
  • ChemSpider ID58828099

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-{(3R,3aR,5aS,6R,7E,9aS,9bS)-7-(Hydroxyimino)-3a,6-diméthyl-3-[(2R)-6-méthyl-2-heptanyl]dodécahydro-1H-cyclopenta[a]naphtalén-6-yl}-1-propanol [French] [ACD/IUPAC Name]
3-{(3R,3aR,5aS,6R,7E,9aS,9bS)-7-(Hydroxyimino)-3a,6-dimethyl-3-[(2R)-6-methyl-2-heptanyl]dodecahydro-1H-cyclopenta[a]naphthalen-6-yl}-1-propanol [ACD/IUPAC Name]
3-{(3R,3aR,5aS,6R,7E,9aS,9bS)-7-(Hydroxyimino)-3a,6-dimethyl-3-[(2R)-6-methyl-2-heptanyl]dodecahydro-1H-cyclopenta[a]naphthalin-6-yl}-1-propanol [German] [ACD/IUPAC Name]
3W389841RN
7H-Benz[e]inden-7-one, 3-[(1R)-1,5-dimethylhexyl]dodecahydro-6-(3-hydroxypropyl)-3a,6-dimethyl-, oxime, (3R,3aR,5aS,6R,7E,9aS,9bS)- [ACD/Index Name]
949080-24-4 [RN]
TRO-40303
14291-24-8 [RN]
TRO40303
UNII:3W389841RN

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 514.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.5±6.0 kJ/mol
Flash Point: 344.4±11.9 °C
Index of Refraction: 1.558
Molar Refractivity: 119.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.23
ACD/LogD (pH 5.5): 7.72
ACD/BCF (pH 5.5): 430385.13
ACD/KOC (pH 5.5): 375221.25
ACD/LogD (pH 7.4): 7.72
ACD/BCF (pH 7.4): 430379.94
ACD/KOC (pH 7.4): 375216.72
Polar Surface Area: 53 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 37.3±7.0 dyne/cm
Molar Volume: 371.0±7.0 cm3

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